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2,2'-DIACETOXY-5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-(1-METHYLETHYL)-1,3-OXAZOLIDINYL]-BIPHENYL

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2,2'-DIACETOXY-5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-(1-METHYLETHYL)-1,3-OXAZOLIDINYL]-BIPHENYL
SpectraBase Compound ID LbJFO81c03K
InChI InChI=1S/C50H64N2O10S2/c1-29(2)43-27-59-47(51(43)63(55,56)37-19-15-31(5)16-20-37)41-25-35(49(9,10)11)23-39(45(41)61-33(7)53)40-24-36(50(12,13)14)26-42(46(40)62-34(8)54)48-52(44(28-60-48)30(3)4)64(57,58)38-21-17-32(6)18-22-38/h15-26,29-30,43-44,47-48H,27-28H2,1-14H3/t43-,44-,47+,48+/m1/s1
InChIKey ZRWJAHHALMFZDJ-NIPTWYEISA-N
Mol Weight 917.2 g/mol
Molecular Formula C50H64N2O10S2
Exact Mass 916.400239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GyVbzwEjEP
Name 2,2'-DIACETOXY-5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-(1-METHYLETHYL)-1,3-OXAZOLIDINYL]-BIPHENYL
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H64N2O10S2
InChI InChI=1S/C50H64N2O10S2/c1-29(2)43-27-59-47(51(43)63(55,56)37-19-15-31(5)16-20-37)41-25-35(49(9,10)11)23-39(45(41)61-33(7)53)40-24-36(50(12,13)14)26-42(46(40)62-34(8)54)48-52(44(28-60-48)30(3)4)64(57,58)38-21-17-32(6)18-22-38/h15-26,29-30,43-44,47-48H,27-28H2,1-14H3/t43-,44-,47+,48+/m1/s1
InChIKey ZRWJAHHALMFZDJ-NIPTWYEISA-N
Literature Reference Author S.WUNNEMANN,R.FROEHLICH,D.HOPPE
Literature Reference Citation ORG.LETTERS,8,2455(2006)
Literature Reference DOI 10.1021/ol060528u
Molecular Weight 917.186 g/mol
Sample ID 59127
Solvent CDCl3